Vitas-M small molecule compound
ethyl (2E)-2-[4-(benzyloxy)-3-methoxybenzylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK797818
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C\c1ccc(c(c1)OC)OCc1ccccc1)/s2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C32H30N2O6S MW 570.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30N2O6S/c1-5-39-31(36)28-20(2)33-32-34(29(28)23-12-14-24(37-3)15-13-23)30(35)27(41-32)18-22-11-16-25(26(17-22)38-4)40-19-21-9-7-6-8-10-21/h6-18,29H,5,19H2,1-4H3/b27-18+InChIKey
RLACUQCWECQASM-OVVQPSECSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1ccc(c(c1)OC)OCc1ccccc1)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC)C(=O)C(=CC4=CC(=C(C=C4)OCC5=CC=CC=C5)OC)S2)C
ethyl(2E)2(4(benzyloxy)3methoxybenzylidene)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)5(4methoxyphenyl)2((3methoxy4phenylmethoxyphenyl)methylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC32H30N2O6Sc153931(36)2820(2)333234(29(28)23121424(373)151323)30(35)27(4132)1822111625(26(1722)384)40192197681021h61829H519H214H3b2718+
MFCD03417182
ZINC000100837928
ZINC000100837929
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